Geometry & MOs

Info

ID:	336044
PubChem CID:	127255051
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	3.08
Dipole, Da:	5.68
IP(EA), eV:	-8.67(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-4-yl)-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3=CC=CO3

DOS

IR

Vibrations